1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane

C12H22O — CID 143381627

IUPAC1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane
SMILESC=C(OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C12H22O/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h11H,1,5-9H2,2-4H3
InChIKeyVUBNLLWKVQOHRR-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.90
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane

1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane (PubChem CID 143381627) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane
PubChem CID143381627
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane
SMILESC=C(OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C12H22O/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h11H,1,5-9H2,2-4H3
InChIKeyVUBNLLWKVQOHRR-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane (CID 143381627) is 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane is C=C(OC(C)(C)C)C1CCCCC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane?
The InChIKey is VUBNLLWKVQOHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(13-12(2,3)4)11-8-6-5-7-9-11/h11H,1,5-9H2,2-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane?
1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]ethenylcyclohexane is sourced from PubChem (CID 143381627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).